CID 490076

1-[(1r,5s)-2,5-dihydroxycyclohexyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H14N2O4
SMILES
C1CC([C@@H](C[C@H]1O)N2C=CC(=O)NC2=O)O
InChI
InChI=1S/C10H14N2O4/c13-6-1-2-8(14)7(5-6)12-4-3-9(15)11-10(12)16/h3-4,6-8,13-14H,1-2,5H2,(H,11,15,16)/t6-,7+,8?/m0/s1
InChIKey
FDNMNNPHESPSEV-KJFJCRTCSA-N
Compound name
1-[(1R,5S)-2,5-dihydroxycyclohexyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09535 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 148.3
[M+Na]+ 249.08457 156.3
[M-H]- 225.08807 148.7
[M+NH4]+ 244.12917 161.8
[M+K]+ 265.05851 152.0
[M+H-H2O]+ 209.09261 140.9
[M+HCOO]- 271.09355 163.6
[M+CH3COO]- 285.10920 180.9
[M+Na-2H]- 247.07002 151.2
[M]+ 226.09480 143.2
[M]- 226.09590 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.